CAS: 23165-53-9
名称: 4-chloro-1-isothiocyanato-2-methylbenzene
SMILES:
CC1=C(C=CC(=C1)Cl)N=C=SMolecular Processing
Molecular formula
C8H6ClNS
Molecular weight
183.66
Exact mass
182.9909
XLogP
3.38
TPSA
12.36
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
50.88
Supplementary Information
InChIKey: XTYLRVPBHHRTMS-UHFFFAOYSA-N
同義語
4-Chloro-1-isothiocyanato-2-methylbenzeneBenzene, 4-chloro-1-isothiocyanato-2-methyl-3-Chloro-6-isothiocyanatotolueneWV8FP23VBEEINECS 245-472-0DTXSID60177747RefChem:93480DTXCID20100238245-472-0XTYLRVPBHHRTMS-UHFFFAOYSA-N23165-53-94-Chloro-2-methylphenyl isothiocyanate4-Chloro-2-methylphenylisothiocyanateMFCD000410894-Chloro-2-methyl isothiocyanate4-chloro-2-methylbenzenisothiocyanate4-chloro-2-methyl-phenyl isothiocyanate2-methyl-4-chlorophenyl isothiocyanateUNII-WV8FP23VBESCHEMBL1457266SBB090092STL1975794-chloro-2-methylphenyl-isothiocyanateAKOS003352783SY0620814-chloro-1-isothiocyanato-2-methyl-benzeneDB-0460954-Chloro-1-isothiocyanato-2-methylbenzene #NS00027372ST50825205
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